N-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide

C18H20N2O2 — CID 10017469

IUPACN-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)o1)C1CN2CCC1CC2
InChIInChI=1S/C18H20N2O2/c21-18(15-12-20-10-8-13(15)9-11-20)19-17-7-6-16(22-17)14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,19,21)
InChIKeyLYHBYNUZMCBCSZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.23
Rot. Bonds3

About N-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide

N-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide (PubChem CID 10017469) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide.

Molecular Properties

Compound NameN-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide
PubChem CID10017469
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)o1)C1CN2CCC1CC2
InChIInChI=1S/C18H20N2O2/c21-18(15-12-20-10-8-13(15)9-11-20)19-17-7-6-16(22-17)14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,19,21)
InChIKeyLYHBYNUZMCBCSZ-UHFFFAOYSA-N
XLogP3.23
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(3-fluorophenyl)furan-2-yl]-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 10267641
N-(5-phenylfuran-2-yl)acetamide
CID 10488288
N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-5-phenylfuran-2-carboxamide
CID 59113576
N-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 10263302
[4-[4-[[(3S)-1-azabicyclo[2.2.2]octane-3-carbonyl]amino]phenyl]phenyl] hydrogen carbonate
CID 69338916
(3R)-N-[4-[4-(methylcarbamoylamino)phenyl]phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 11485757
(3R)-N-[4-(4-formamidophenyl)phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 142994358
(3R)-N-[4-[4-(benzylsulfonylamino)phenyl]phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide;hydrochloride
CID 11375684
N-(4-thiophen-2-ylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide;hydrochloride
CID 10236954
5-(4-anilinophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
CID 18180723
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenyl-1,3-oxazole-2-carboxamide
CID 59923485
[4-[4-[[(3R)-1-azabicyclo[2.2.2]octane-3-carbonyl]amino]phenyl]phenyl]methyl-propan-2-ylcarbamic acid
CID 69338795

Frequently Asked Questions

What is the IUPAC name of N-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide?
The IUPAC name of N-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide (CID 10017469) is N-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide.
What is the SMILES notation for N-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide?
The canonical SMILES for N-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide is O=C(Nc1ccc(-c2ccccc2)o1)C1CN2CCC1CC2.
What is the InChIKey of N-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide?
The InChIKey is LYHBYNUZMCBCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18(15-12-20-10-8-13(15)9-11-20)19-17-7-6-16(22-17)14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,19,21).
What are the key properties of N-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide?
N-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide is sourced from PubChem (CID 10017469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).